Project name: 730f4d0a2b68217

Status: done

Started: 2026-02-08 15:49:39
Settings
Chain sequence(s) L: CWYLIEFLDEC
input PDB
Selected Chain(s) L
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-1.9047
Maximal score value
2.018
Average score
0.7586
Total score value
8.3446

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
0 C L 1.0376
1 W L 1.5313
2 Y L 1.3751
3 L L 2.0180
4 I L 1.9605
5 E L -0.9568
6 F L 1.9116
7 L L 1.7593
8 D L -0.8617
9 E L -1.9047
10 C L 0.4744
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Laboratory of Theory of Biopolymers 2018